1-cyclopentylsulfanylpiperidine

C10H19NS — CID 144507529

IUPAC1-cyclopentylsulfanylpiperidine
SMILESC1CCN(SC2CCCC2)CC1
InChIInChI=1S/C10H19NS/c1-4-8-11(9-5-1)12-10-6-2-3-7-10/h10H,1-9H2
InChIKeyNCLASQUMDQIZIP-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.06
Rot. Bonds2

About 1-cyclopentylsulfanylpiperidine

1-cyclopentylsulfanylpiperidine (PubChem CID 144507529) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-cyclopentylsulfanylpiperidine.

Molecular Properties

Compound Name1-cyclopentylsulfanylpiperidine
PubChem CID144507529
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-cyclopentylsulfanylpiperidine
SMILESC1CCN(SC2CCCC2)CC1
InChIInChI=1S/C10H19NS/c1-4-8-11(9-5-1)12-10-6-2-3-7-10/h10H,1-9H2
InChIKeyNCLASQUMDQIZIP-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctylsulfanylazepane
CID 154274108
1,4-bis(cyclodecylsulfanyl)piperazine-2,5-dione
CID 154345603
tert-butylsulfanylcycloundecane
CID 123259854
cyclohexyl thiohypochlorite
CID 174496435
(cyclohexyltrisulfanyl)cyclohexane
CID 86176414
disulfanylcyclododecane
CID 87475322
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991
1-cyclopentylsulfanylcyclopropane-1-carboxylic acid
CID 65141741
1-cyclohexylazocane
CID 23151203
1-azabicyclo[8.8.8]hexacosane
CID 66583548
hydroxysulfanylcyclohexane;hydrochloride
CID 70408617
1-cyclooctylpyrrolidine
CID 23277874

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfanylpiperidine?
The IUPAC name of 1-cyclopentylsulfanylpiperidine (CID 144507529) is 1-cyclopentylsulfanylpiperidine.
What is the SMILES notation for 1-cyclopentylsulfanylpiperidine?
The canonical SMILES for 1-cyclopentylsulfanylpiperidine is C1CCN(SC2CCCC2)CC1.
What is the InChIKey of 1-cyclopentylsulfanylpiperidine?
The InChIKey is NCLASQUMDQIZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-8-11(9-5-1)12-10-6-2-3-7-10/h10H,1-9H2.
What are the key properties of 1-cyclopentylsulfanylpiperidine?
1-cyclopentylsulfanylpiperidine has a molecular weight of 185.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfanylpiperidine is sourced from PubChem (CID 144507529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).